TDR Targets

Basic information

Technical information

TDR Targets ID: 275853
Name: (E)-3-phenyl-N'-[[4-(trifluoromethyl)phenyl]m ethyl]prop-2-enimidamide
MW: 304.31 | Formula: C17H15F3N2
H donors: 1 H acceptors: 0 LogP: 4.09 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N=C(/C=C/c1ccccc1)NCc1ccc(cc1)C(F)(F)F
InChi: 1S/C17H15F3N2/c18-17(19,20)15-9-6-14(7-10-15)12-22-16(21)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)/b11-8+
InChiKey: KDOSGXHIWXEYDY-DHZHZOJOSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(E)-3-phenyl-N'-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamidine
(E)-3-phenyl-N'-[[4-(trifluoromethyl)phenyl]methyl]-2-propenamidine
(E)-3-phenyl-N'-[4-(trifluoromethyl)benzyl]acrylamidine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, ionotropic, N-methyl D-aspartate 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0021	0.0029
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0302	1	1
Brugia malayi	Glutamate receptor 1 precursor	0.0024	0.0299	0.0408
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0475	0.0646
Treponema pallidum	fructose-bisphosphate aldolase	0.0302	1	1
Schistosoma mansoni	lamin	0.0029	0.0475	0.0881
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0074	0.5
Plasmodium vivax	glutathione reductase, putative	0.0051	0.1245	1
Schistosoma mansoni	glutamate receptor NMDA	0.0024	0.0299	0.054
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1251	0.1703
Mycobacterium tuberculosis	Probable reductase	0.0117	0.3543	0.7656
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0157	0.4949	1
Echinococcus granulosus	lamin dm0	0.0029	0.0475	0.095
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Plasmodium falciparum	thioredoxin reductase	0.0051	0.1245	1
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0027	0.0381	0.073
Echinococcus multilocularis	glutamate receptor 2	0.002	0.0147	0.0254
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0543	0.1092
Loa Loa (eye worm)	glutamate receptor 2	0.0024	0.0299	0.0408
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.013	0.3999	0.4298
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.1069	0.8491
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0456	0.0621
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1251	0.1703
Trypanosoma brucei	hypothetical protein, conserved	0.0231	0.752	1
Echinococcus multilocularis	glutamate receptor 2	0.0024	0.0299	0.0564
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.2782	0.5602
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.046	0.089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1103	0.21
Schistosoma mansoni	glutamate receptor kainate	0.0024	0.0299	0.054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1103	0.21
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0029	0.046	0.089
Brugia malayi	Thioredoxin reductase	0.0051	0.1245	0.1696
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.0934	0.0867
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.1245	0.1696
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.1069	0.8491
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1103	0.2266
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.046	0.089
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0934	0.7342
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.046	0.0919
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.1069	0.2194
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0381	0.0413
Echinococcus multilocularis	lamin dm0	0.0029	0.0475	0.092
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0024	0.0299	0.0564
Onchocerca volvulus		0.0257	0.8435	1
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0027	0.0381	0.0679
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.046	0.0919
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0018	0.0074	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1251	0.1703
Brugia malayi	acetyltransferase, GNAT family protein	0.0157	0.4949	0.6738
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0682	0.0928
Trichomonas vaginalis	set domain proteins, putative	0.0257	0.8435	0.8424
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0584	0.1093
Schistosoma mansoni	glutamate receptor kainate	0.0024	0.0299	0.054
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Echinococcus granulosus	glutamate receptor 2	0.002	0.0147	0.0262
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0117	0.3543	0.7656
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0117	0.3543	0.7656
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0475	0.0881
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1103	0.2266
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.0928
Onchocerca volvulus		0.0032	0.0584	0.0137
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0584	0.1179
Plasmodium falciparum	glutathione reductase	0.0051	0.1245	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.1245	0.2564
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.2942	0.5928
Echinococcus multilocularis	glutamate receptor 2	0.0029	0.046	0.089
Brugia malayi	glutathione reductase	0.0051	0.1245	0.1696
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0074	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Plasmodium vivax	SET domain protein, putative	0.0032	0.0584	0.4358
Echinococcus granulosus	intermediate filament protein	0.0029	0.0475	0.095
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.4605	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0381	0.0413
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0018	0.0074	0.01
Leishmania major	hypothetical protein, conserved	0.0231	0.752	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0018	0.0074	0.0109
Loa Loa (eye worm)	acetyltransferase	0.0157	0.4949	0.6738
Leishmania major	trypanothione reductase	0.0051	0.1245	0.1574
Echinococcus granulosus	citrate lyase subunit beta protein	0.0027	0.0381	0.0754
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0024	0.0299	0.0582
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Brugia malayi	Glutamate receptor 2 precursor	0.0024	0.0299	0.0408
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0475	0.0646
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0157	0.4949	0.9569
Schistosoma mansoni	glutamate receptor kainate	0.0024	0.0299	0.054
Mycobacterium tuberculosis	Probable dehydrogenase	0.0117	0.3543	0.7656
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0027	0.0381	0.0413
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.4605	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1251	0.1703
Schistosoma mansoni	ATP-binding cassette transporter	0.0024	0.0299	0.054
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0584	0.0795
Schistosoma mansoni	lamin	0.0029	0.0475	0.0881
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0381	0.0679
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	0.752	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0153	0.4795	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0302	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0302	1	1
Loa Loa (eye worm)	glutamate receptor 1	0.0024	0.0299	0.0408
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0584	0.1142
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.1069	0.8491
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0584	0.1142
Schistosoma mansoni	hypothetical protein	0.0035	0.0682	0.1283
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.1245	0.2484
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0475	0.0646
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0117	0.3543	0.7656
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.013	0.3999	0.8663
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0018	0.0074	0.5
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.1245	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0381	0.0679
Brugia malayi	Pre-SET motif family protein	0.0032	0.0584	0.0795
Loa Loa (eye worm)	glutathione reductase	0.0051	0.1245	0.1696
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.7345	1
Echinococcus granulosus	glutamate receptor 2	0.0029	0.046	0.0919
Schistosoma mansoni	glutamate receptor AMPA	0.0024	0.0299	0.054
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0584	0.1093
Schistosoma mansoni	glutamate receptor AMPA	0.0024	0.0299	0.054
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0018	0.0074	0.0106
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0021	0.0029
Brugia malayi	intermediate filament protein	0.0029	0.0475	0.0646
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.2782	0.5783
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1103	0.1502
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.046	0.089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1103	0.21
Echinococcus multilocularis	lamin	0.0029	0.0475	0.092
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.1069	0.1002
Mycobacterium tuberculosis	Conserved protein	0.0027	0.0381	0.0679
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0584	0.4358
Echinococcus granulosus	nmda type glutamate receptor	0.0104	0.3095	0.644
Echinococcus multilocularis	nmda type glutamate receptor	0.0104	0.3095	0.6238
Trypanosoma brucei	trypanothione reductase	0.0051	0.1245	0.1574
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.4605	1
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0027	0.0381	0.0679
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1103	0.2195
Mycobacterium tuberculosis	Probable oxidoreductase	0.013	0.3999	0.8663
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0027	0.0381	0.031
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.046	0.0919
Echinococcus multilocularis	musashi	0.0029	0.0475	0.092
Schistosoma mansoni	glutamate receptor NMDA	0.0124	0.379	0.7318
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.1069	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0475	0.0646
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.013	0.3999	0.8663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1103	0.2195
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1103	0.1502
Toxoplasma gondii	thioredoxin reductase	0.0051	0.1245	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0231	0.752	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0584	0.1093
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0117	0.3543	0.7656
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0027	0.0381	0.0679
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0027	0.0381	0.0679
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.2942	0.6119
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0029	0.046	0.0919
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.1245	0.2586
Echinococcus granulosus	lamin	0.0029	0.0475	0.095
Brugia malayi	Pre-SET motif family protein	0.0226	0.7345	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.1245	0.1574
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0584	0.1093
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0021	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0021	0.0029

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1400 nM	Displacement of [3H]-ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells	ChEMBL.	12639560
Ki (binding)	= 1400 nM	Displacement of [3H]-ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells	ChEMBL.	12639560

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

PubChem: 9814954

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 275853